Common name
2-methoxypropane-1,3-diol
IUPAC name
2-methoxypropane-1,3-diol
SMILES
COC(CO)CO
Common name
2-methoxypropane-1,3-diol
IUPAC name
2-methoxypropane-1,3-diol
SMILES
COC(CO)CO
INCHI
InChI=1S/C4H10O3/c1-7-4(2-5)3-6/h4-6H,2-3H2,1H3
FORMULA
C4H10O3
Common name
2-methoxypropane-1,3-diol
IUPAC name
2-methoxypropane-1,3-diol
Molecular weight
106.120
clogP
-0.499
clogS
0.353
Frequency
0.0003
HBond Acceptor
3
HBond Donor
2
Total PolarSurface Area
49.69
Number of Rings
0
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00858 | Ganciclovir |
|
Antiviral Agents; Ophthalmologicals; Sensory Organs; Antiinfectives for Systemic Use; Direct Acting Antivirals; Antivirals for Systemic Use; Nucleosides and Nucleotides Excl. Reverse Transcriptase Inhibitors; Antiinfectives; | For induction and maintenance in the treatment of cytomegalovirus (CMV) retinitis in immunocompromised patients, including patients with acquired immunodeficiency syndrome (AIDS). Also used in the treatment of severe cytomegalovirus (CMV) disease, including CMV pneumonia, CMV gastrointestinal disease, and disseminated CMV infections, in immunocompromised patients. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3gep_ligand_4_10.mol2 | 3gep | 0.9 | -5.43 | CO[C@@H](C)CO | 6 |
| 3eor_ligand_4_10.mol2 | 3eor | 0.9 | -5.19 | C[C@H](CO)OC | 6 |
| 5bsk_ligand_4_30.mol2 | 5bsk | 0.9 | -5.03 | CO[C@@H](C)CO | 6 |
| 5brn_ligand_4_34.mol2 | 5brn | 0.9 | -5.01 | CO[C@@H](C)CO | 6 |
| 4rhu_ligand_5_406.mol2 | 4rhu | 0.9 | -4.95 | CO[C@@H](CO)C | 6 |
144 ,
15
